SCHEMBL10060645

SCHEMBL10060645

COc1ccc(C#Cc2ccc(-c3nc(C)nc(C)n3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.50
MCHR1 Q99705 4/20 0.48
CHRNA7 P36544 1/20 0.47
CLK4 Q9HAZ1 1/20 0.46
MAPT P10636 3/20 0.44
KDM4E B2RXH2 1/20 0.44
TP53 P04637 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KCNH2 Q12809 1/20 0.44
PDE10A Q9Y233 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP1A1 P04798 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP1B1 Q16678 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13642128 0.89 CLK4 (0.55) CHRNA7CLK4MAPTKDM4ETP53
SCHEMBL10060648 0.82 GRM5 (0.47) NPC1RAB9ANPSR1KCNH2MEN1
SCHEMBL10060646 0.80 L3MBTL1 (0.61) APPMAPTKDM4ETP53NPC1
SCHEMBL274985 0.78 APP (0.45) APPMCHR1CHRNA7CLK4MAPT
SCHEMBL338452 0.77 CLK4 (0.64) APPCLK4MAPTKDM4ETP53
SCHEMBL674764 0.77 APP (0.77) APPMCHR1MAPTKDM4ENPC1
SCHEMBL10300057 0.77 APP (0.77) APPMCHR1MAPTKDM4ENPC1
SCHEMBL2876553 0.75 CLK4 (0.61) CLK4MAPTKDM4ETP53NPC1
SCHEMBL15896952 0.75 CLK4 (0.61) CLK4MAPTKDM4ETP53NPC1
SCHEMBL26793564 0.75 CHRNA7 (0.49) CHRNA7CLK4MAPTKDM4ETP53

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120082836-A1 RESIN COMPOSITION FOR LASER ENGRAVING, RESIN PRINTING PLATE PRECURSOR FOR LASER ENGRAVING, RELIEF PRINTING PLATE AND METHOD FOR PRODUCTION OF RELIEF PRINTING PLATE FUJIFILM CORPORATION (JP) 2012-04-05 US disclosed